SCHEMBL28926992

SCHEMBL28926992

CCOC(=O)CCCCc1ccc(C(=O)NCc2ccccc2Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.62
KMT2A Q03164 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
CYP4Z1 Q86W10 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PPARG P37231 5/20 0.45
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28651771 0.89 EPHX2 (0.64) EPHX2CYP4F2CYP4A11CYP4Z1ALDH1A1
SCHEMBL28643158 0.83 EPHX2 (0.66) EPHX2CYP4F2CYP4A11PPARG
SCHEMBL28663154 0.80 MAPK14 (0.65) EPHX2PPARG
SCHEMBL28656783 0.80 EPHX2 (0.60) EPHX2CYP4Z1PPARGGAAMAPK1
SCHEMBL11911407 0.78 CYP4F2 (0.69) CYP4F2CYP4A11CYP4Z1ALDH1A1GAA
SCHEMBL22987232 0.78 EPHX2 (0.67) EPHX2KMT2AALDH1A1PPARG
SCHEMBL9157019 0.76 CYP4F2 (0.64) CYP4F2CYP4A11CYP4Z1ALDH1A1GAA
SCHEMBL6328999 0.74 ALOX5 (0.69) CYP4F2CYP4A11CYP4Z1ALDH1A1TDP1
SCHEMBL9671800 0.74 CYP4Z1 (0.65) CYP4F2CYP4A11CYP4Z1ALDH1A1PPARG
SCHEMBL28665658 0.73 KMT2A (0.65) EPHX2KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026028-B Treatment of diabetes and metabolic syndrome with novel dual modulators of soluble epoxide hydrolase and peroxisome proliferator-activated receptors 威斯康星州医药大学股份有限公司 2021-11-09 CN disclosed